2-bromanyl-N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: 2-bromanyl-N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: 2-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-4-fluoro-benzamide CAS Name: 2-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4-fluorobenzamide IUPAC Name: 2-bromo-N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-4-fluorobenzamide Traditional Name: 2-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-4-fluoro-benzamide Formula: C21H18BrFN2O2 MolecularWeight: 429.282223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C21H18BrFN2O2/c1-13-3-4-14(2)19(9-13)27-20-8-5-15(11-24-20)12-25-21(26)17-7-6-16(23)10-18(17)22/h3-11H,12H2,1-2H3,(H,25,26)